2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+)

C58H39N12O8OsRu- — CID 58420825

IUPAC2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+)
SMILESO=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Os+].[Ru+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2[n-]c(-c3nc4ccccc4[n-]3)nc2c1
InChIInChI=1S/C14H8N4.2C12H8N2O4.2C10H8N2.Os.Ru/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-8H;2*1-7H,(H,16,17);2*1-8H;;/q-2;;;;;2*+1/p-1
InChIKeyQNFDEZOBQKPNJK-UHFFFAOYSA-M
MW1323.33 g/mol
LogP8.07
Rot. Bonds11

About 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+)

2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+) (PubChem CID 58420825) has the molecular formula C58H39N12O8OsRu- and a molecular weight of 1323.33 g/mol. Its IUPAC name is 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+).

Molecular Properties

Compound Name2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+)
PubChem CID58420825
Molecular FormulaC58H39N12O8OsRu-
Molecular Weight1323.33 g/mol
Exact Mass1325.17
IUPAC Name2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+)
SMILESO=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Os+].[Ru+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2[n-]c(-c3nc4ccccc4[n-]3)nc2c1
InChIInChI=1S/C14H8N4.2C12H8N2O4.2C10H8N2.Os.Ru/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-8H;2*1-7H,(H,16,17);2*1-8H;;/q-2;;;;;2*+1/p-1
InChIKeyQNFDEZOBQKPNJK-UHFFFAOYSA-M
XLogP8.07
TPSA287.13 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms80
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001323.33
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+)?
The IUPAC name of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+) (CID 58420825) is 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+).
What is the SMILES notation for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+)?
The canonical SMILES for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+) is O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Os+].[Ru+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2[n-]c(-c3nc4ccccc4[n-]3)nc2c1.
What is the InChIKey of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+)?
The InChIKey is QNFDEZOBQKPNJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8N4.2C12H8N2O4.2C10H8N2.Os.Ru/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-8H;2*1-7H,(H,16,17);2*1-8H;;/q-2;;;;;2*+1/p-1.
What are the key properties of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+)?
2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+) has a molecular weight of 1323.33 g/mol, XLogP of 8.07, 11 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium(1+);bis(2-pyridin-2-ylpyridine);ruthenium(1+) is sourced from PubChem (CID 58420825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).